(S)-(3-(4-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperazin-1-yl)-4-methylphenyl)methanol | 1227170-63-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (S)-(3-(4-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperazin-1-yl)-4-methylphenyl)methanol
• 英文别名: [3-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperazin-1-yl]-4-methylphenyl]methanol
• CAS: 1227170-63-9
• 化学式: C₂₁H₂₆N₂O₃
• 分子量: 354.449
• InChiKey: DWSXZENTDODFTE-SFHVURJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  45.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-氨基-4-甲基苯甲醇 、 (S)-2-chloro-N-(2-chloroethyl)-N-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)ethanamine 以to give 5.2 mg of the title compound的产率得到(S)-(3-(4-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperazin-1-yl)-4-methylphenyl)methanol
  参考文献：
  名称：

  ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS

  摘要：

  式(I)的化合物，其中X、Z、A、B、D、E、R1-R4和m如权利要求所定义，表现为α2C拮抗活性，因此可用作α2拮抗剂。

  公开号：

  US20110262352A1

文献信息

• ALPHA-2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS FOR THE TREATMENT OF SLEEP APNEA
  申请人：Bayer Aktiengeseilschaft

  公开号：US20210338662A1

  公开（公告）日：2021-11-04

  The present invention relates to α2-Adrenoceptor subtype C (alpha-2C) antagonists, in particular aryl piperazines of formula (I) for the use in a method for the treatment and/or prophylaxis of sleep-related breathing disorders, preferably obstructive and central sleep apneas and snoring.
• COMBINATION OF AN ?2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA
  申请人：Bayer Aktiengesellschaft

  公开号：US20220218700A1

  公开（公告）日：2022-07-14

  The present invention relates to a combination of selective blockers of TASK-1 and TASK-3 channels, in particular diazabicyclically substituted imidazo[1,2-a]pyrimidine derivatives and α2-Adrenoceptor subtype C (alpha-2C) antagonists, in particular aryl piperazines of formula (I) for the treatment and/or prophylaxis of sleep-related breathing disorders, preferably obstructive and central sleep apneas and snoring.